[2-cyano-2-(3-formylphenyl)ethenylidene]azanide

C10H5N2O- — CID 139242931

IUPAC[2-cyano-2-(3-formylphenyl)ethenylidene]azanide
SMILESN#CC(=C=[N-])c1cccc(C=O)c1
InChIInChI=1S/C10H5N2O/c11-5-10(6-12)9-3-1-2-8(4-9)7-13/h1-4,7H/q-1
InChIKeyUBEZVPWQPNETSZ-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.65
Rot. Bonds2

About [2-cyano-2-(3-formylphenyl)ethenylidene]azanide

[2-cyano-2-(3-formylphenyl)ethenylidene]azanide (PubChem CID 139242931) has the molecular formula C10H5N2O- and a molecular weight of 169.16 g/mol. Its IUPAC name is [2-cyano-2-(3-formylphenyl)ethenylidene]azanide.

Molecular Properties

Compound Name[2-cyano-2-(3-formylphenyl)ethenylidene]azanide
PubChem CID139242931
Molecular FormulaC10H5N2O-
Molecular Weight169.16 g/mol
Exact Mass169.04
IUPAC Name[2-cyano-2-(3-formylphenyl)ethenylidene]azanide
SMILESN#CC(=C=[N-])c1cccc(C=O)c1
InChIInChI=1S/C10H5N2O/c11-5-10(6-12)9-3-1-2-8(4-9)7-13/h1-4,7H/q-1
InChIKeyUBEZVPWQPNETSZ-UHFFFAOYSA-N
XLogP1.65
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-cyano-2-(3-formylphenyl)ethenylidene]azanide?
The IUPAC name of [2-cyano-2-(3-formylphenyl)ethenylidene]azanide (CID 139242931) is [2-cyano-2-(3-formylphenyl)ethenylidene]azanide.
What is the SMILES notation for [2-cyano-2-(3-formylphenyl)ethenylidene]azanide?
The canonical SMILES for [2-cyano-2-(3-formylphenyl)ethenylidene]azanide is N#CC(=C=[N-])c1cccc(C=O)c1.
What is the InChIKey of [2-cyano-2-(3-formylphenyl)ethenylidene]azanide?
The InChIKey is UBEZVPWQPNETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N2O/c11-5-10(6-12)9-3-1-2-8(4-9)7-13/h1-4,7H/q-1.
What are the key properties of [2-cyano-2-(3-formylphenyl)ethenylidene]azanide?
[2-cyano-2-(3-formylphenyl)ethenylidene]azanide has a molecular weight of 169.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-2-(3-formylphenyl)ethenylidene]azanide is sourced from PubChem (CID 139242931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).